| { |
| "$defs": { |
| "Modification": { |
| "additionalProperties": false, |
| "properties": { |
| "position": { |
| "minimum": 1, |
| "title": "Position", |
| "type": "integer" |
| }, |
| "residue": { |
| "maxLength": 1, |
| "minLength": 1, |
| "title": "Residue", |
| "type": "string" |
| }, |
| "ccd": { |
| "minLength": 1, |
| "title": "Ccd", |
| "type": "string" |
| } |
| }, |
| "required": [ |
| "position", |
| "residue", |
| "ccd" |
| ], |
| "title": "Modification", |
| "type": "object" |
| }, |
| "Molecule": { |
| "additionalProperties": false, |
| "properties": { |
| "sequence": { |
| "title": "Sequence", |
| "type": "string" |
| }, |
| "modifications": { |
| "items": { |
| "$ref": "#/$defs/Modification" |
| }, |
| "title": "Modifications", |
| "type": "array" |
| }, |
| "bonds": { |
| "items": { |
| "maxItems": 4, |
| "minItems": 4, |
| "prefixItems": [ |
| { |
| "type": "integer" |
| }, |
| { |
| "type": "string" |
| }, |
| { |
| "type": "integer" |
| }, |
| { |
| "type": "string" |
| } |
| ], |
| "type": "array" |
| }, |
| "title": "Bonds", |
| "type": "array" |
| }, |
| "n_terminus": { |
| "default": "free", |
| "title": "N Terminus", |
| "type": "string" |
| }, |
| "c_terminus": { |
| "default": "free", |
| "title": "C Terminus", |
| "type": "string" |
| }, |
| "smiles": { |
| "anyOf": [ |
| { |
| "type": "string" |
| }, |
| { |
| "type": "null" |
| } |
| ], |
| "default": null, |
| "title": "Smiles" |
| } |
| }, |
| "required": [ |
| "sequence" |
| ], |
| "title": "Molecule", |
| "type": "object" |
| } |
| }, |
| "additionalProperties": false, |
| "properties": { |
| "molecule": { |
| "$ref": "#/$defs/Molecule" |
| }, |
| "parent_ids": { |
| "items": { |
| "type": "string" |
| }, |
| "title": "Parent Ids", |
| "type": "array" |
| }, |
| "generator": { |
| "title": "Generator", |
| "type": "string" |
| }, |
| "revision": { |
| "title": "Revision", |
| "type": "string" |
| } |
| }, |
| "required": [ |
| "molecule", |
| "generator", |
| "revision" |
| ], |
| "title": "Candidate", |
| "type": "object" |
| } |
